| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:20:57 UTC |
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| Update Date | 2025-03-25 00:15:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01254548 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C6H7NO2 |
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| Molecular Mass | 125.0477 |
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| SMILES | N#CC=CCCC(=O)O |
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| InChI Key | BYXFWNLDUPLOSE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsstraight chain fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupstraight chain fatty acidnitrilecarboxylic acidcarboxylic acid derivativeamino fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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